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Chemical Similarities between Non-NIR and NIR Nerve-Specific Contrast Agents. BMB (non-NIR) and Oxazine 4 (NIR) are shown as 2D energy-minimized structures, 3D structures with charge (red = negative; blue = positive) and hydrophobicity (gray) distributions, and in comparison to BMB and its sub-structures. Similarity was calculated using the chemical hashed fingerprint method with a Normalized Euclidean screening configuration (Instant JChem v 6.04, ChemAxon).
